0 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.37 CC1=NN(C)C(N)=C1Br B22143 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,0,0,0|0,0,0]=1 7 B8R1.18 CC1=CC(C)=NN1C T41425 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.18 CC1=NN(C)C=C1I K41135 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.18 CC1=NN(C)C=C1N A10473 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.18 CC1=NN(C)C=C1N D41244 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.18 CN1SC(Cl)=CC1=O C69553 [1,0,0,0,0,0|2,1,0]=4 19 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.50 CC1=NOC(C)=C1Br B7571 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.50 CC1=NOC(C)=C1I D39177 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.50 O=C1CCC(=O)N1O H68064 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.50 O=C1OCC(Br)=C1Br D2821 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,0,1,0,0,0|2,0,1]=4 30 B8R1.25 O=C1C(=O)C(O)=C1O D3146 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 H46256 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 A41150 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.22 CC1=CC(O)=C(Br)C(C)=C1 B62062 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 T68899 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 A43635 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O D32147 [0,0,0,0,0,1|2,0,1]=4 37 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,1,0,0,0|0,0,2]=4 38 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.5 CCOC(=O)C(N)=O E60589 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|1,0,0]=3 47 B7R0.10 CCC(=O)C(=O)CC H41459 [1,0,1,0,0,0|0,0,2]=4 48 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,1,0,0,0|1,0,1]=4 49 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,1,0,0,0|2,0,0]=4 50 B7R1.2 CC1=CC(=O)CC1 M22783 [2,0,0,0,0,0|1,0,0]=3 51 B7R1.2 CC1=CC(=O)CO1 M41117 [2,0,0,0,0,0|0,0,0]=2 52 B7R1.2 CC1=CC(=O)NN1 M12010 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.2 CC1=CC(=O)NO1 M68379 [2,0,0,0,0,0|1,0,0]=3 54 B7R1.2 CC1=CC(Br)=NO1 B2183 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.2 CC1=CC(C)=NO1 D39182 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.2 CC1=CC(N)=NO1 A12655 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.2 CC1=CC=C(Br)O1 B41015 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.2 CC1=CC=C(C)S1 D43320 [2,0,0,0,0,0|0,1,1]=4 59 B7R1.2 CC1=NN(C)C=C1 D4115 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 CN1C=C(O)C=N1 M38839 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.2 NC1=NC(=O)CO1 A39836 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.2 O=C1C=C(Br)CO1 B3416 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.4 CC1=C(Br)C=NO1 B40106 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.4 CN1NC=CC1=O M40184 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.4 C[C@@H]1OCCC1=O M41223 [2,0,0,0,0,0|0,0,2]=4 66 B7R1.4 O=C1CCC=C1Br B3409 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.4 O=C1CCC=C1O H41119 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,0,1,1,0,0|1,0,0]=3 72 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [1,0,0,0,0,1|1,0,1]=4 73 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [1,0,0,0,0,1|1,0,1]=4 74 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [1,0,0,0,0,1|1,0,1]=4 75 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [1,0,0,0,0,1|0,0,2]=4